[gmx-developers] Force Field validation
alexxy at omrb.pnpi.spb.ru
Tue Jun 10 08:36:40 CEST 2014
Are there some common GROMACS workflow to validate forcefields and/or
forcefields additions like glycam?
I have converted GLYCAM forcefield to gromacs format. However it has large
number of building blocks (~2.5k). GROMACS should have case sensetive building
block names to deal with it
Alexey 'Alexxy' Shvetsov, PhD
Department of Molecular and Radiation Biophysics
FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
Leningrad region, Gatchina, Russia
mailto:alexxyum at gmail.com
mailto:alexxy at omrb.pnpi.spb.ru
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